Information card for entry 7055622

Structure parameters

• Formula: C52 H62 La2 N10 Ni2 O32
• Calculated formula: C52 H62 La2 N10 Ni2 O32
• SMILES: C[O]1c2c3c(ccc2)C=[N]2OCCO[N]4=Cc5cccc6[O]([La]789%101([O]3[Ni]24([O]7c56)([O]=C(O8)c1ccc(C2=[O][Ni]345([N]6=Cc7c8c(ccc7)[O](C)[La]7%11%12([O]48)([O]5c4c(C=[N]3OCCO6)cccc4[O]7C)(O2)(ON(=[O]%11)=O)([O]=CN(C)C)ON(=O)=[O]%12)[OH]C)cc1)[OH]C)(ON(=O)=[O]9)(ON(=[O]%10)=O)[O]=CN(C)C)C
• Title of publication: Nine self-assembled nickel(ii)‒lanthanide(iii) heterometallic complexes constructed from a Salamo-type bisoxime and bearing a N- or O-donor auxiliary ligand: syntheses, structures and magnetic properties
• Authors of publication: Dong, Wen-Kui; Ma, Jian-Chun; Zhu, Li-Chun; Zhang, Yang
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 6998
• a: 15.3389 ± 0.0003 Å
• b: 13.0476 ± 0.0004 Å
• c: 17.2529 ± 0.0004 Å
• α: 90°
• β: 97.2166 ± 0.0018°
• γ: 90°
• Cell volume: 3425.57 ± 0.15 ų
• Cell temperature: 293.42 ± 0.1 K
• Ambient diffraction temperature: 293.42 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No